Ligand name: (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]
PDB ligand accession: 0O6
DrugBank: n/a
PubChem: 70678411
ChEMBL: CHEMBL2220359
InChI Key: XKEIDWZKJDOBEL-OKDMWEIPSA-N
SMILES: CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)C(c7ccccc7)NC(=O)C8CCC9N8C(=O)C(C(CC9)CO)NC(=O)C(CC)NC)CO)NC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P98170

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EC4	Download	Experimental	e4ec4A1 e4ec4F1 e4ec4B2 e4ec4G2 e4ec4K2 e4ec4D1 e4ec4E2 e4ec4L2 e4ec4J2 e4ec4C1	Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat	LigPlot